3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide

C10H13BrN2O3S — CID 113288378

IUPAC3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NC2CC(O)C2)ccc1Br
InChIInChI=1S/C10H13BrN2O3S/c11-9-2-1-8(5-10(9)12)17(15,16)13-6-3-7(14)4-6/h1-2,5-7,13-14H,3-4,12H2
InChIKeyQWQUHACPHKPQCJ-UHFFFAOYSA-N
MW321.20 g/mol
LogP0.83
Rot. Bonds3

About 3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide

3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide (PubChem CID 113288378) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide
PubChem CID113288378
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC Name3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NC2CC(O)C2)ccc1Br
InChIInChI=1S/C10H13BrN2O3S/c11-9-2-1-8(5-10(9)12)17(15,16)13-6-3-7(14)4-6/h1-2,5-7,13-14H,3-4,12H2
InChIKeyQWQUHACPHKPQCJ-UHFFFAOYSA-N
XLogP0.83
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 115329229
3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 115329563
4-bromo-3-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 134367233
3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 43257259
4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 115329624
4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide
CID 114118595
4-bromo-N-(3-hydroxycyclobutyl)thiophene-2-sulfonamide
CID 130559335
2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950
2-(3-amino-4-bromophenyl)sulfonylguanidine
CID 116646272
3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213563
3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide
CID 115328855
3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
CID 64734598

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide (CID 113288378) is 3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NC2CC(O)C2)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide?
The InChIKey is QWQUHACPHKPQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c11-9-2-1-8(5-10(9)12)17(15,16)13-6-3-7(14)4-6/h1-2,5-7,13-14H,3-4,12H2.
What are the key properties of 3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide?
3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide has a molecular weight of 321.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide is sourced from PubChem (CID 113288378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).